Altering the spin state of transition metal centers in metal–organic frameworks by molecular hydrogen adsorption: a first-principles study
Abstract
Our first-principles calculation shows that molecular hydrogen (H2)
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* Corresponding authors
a
Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, New York 12180, USA
E-mail:
zhangs9@rpi.edu
b Graduate School of Nanoscience and Technology (WCU) and Institute for the NanoCentury, KAIST, Daejeon 305-701, Korea
c Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA
Our first-principles calculation shows that molecular hydrogen (H2)
Y. Y. Sun, Y. Kim, K. Lee, D. West and S. B. Zhang, Phys. Chem. Chem. Phys., 2011, 13, 5042 DOI: 10.1039/C0CP02373F
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